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Browsing by Author Truhlar, D. G.

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Showing results 1 to 10 of 10
TitleAuthor(s)Issue date???itemlist.???
Deuterium and C-13 Kinetic Isotope Effects for the Reaction of Oh with Ch4Melissas, V. S.; Truhlar, D. G.24-Nov-2015-
Direct Dynamics Calculations with Nddo Molecular-Orbital TheoryLynch, G. C.; Liu, Y. P.; Hu, W. P.; Lu, D. H.; Melissas, V. S.; Gonzalezlafont, A.; Truong, T. N.; Truhlar, D. G.; Garrett, B. C.; Steckler, R.24-Nov-2015-
Improved Methods for Reaction-Path Calculations in Chemical-DynamicsMelissas, V. S.; Truhlar, D. G.; Garrett, B. C.24-Nov-2015-
Interpolated Variational Transition-State Theory and Semiclassical Tunneling Calculations of the Rate-Constant of the Reaction Oh+C2h6 at 200-3000 KMelissas, V. S.; Truhlar, D. G.24-Nov-2015-
Interpolated Variational Transition-State Theory and Tunneling Calculations of the Rate-Constant of the Reaction Oh+Ch4 at 223-2400 KMelissas, V. S.; Truhlar, D. G.24-Nov-2015-
Morate - a Program for Direct Dynamics Calculations of Chemical-Reaction Rates by Semiempirical Molecular-Orbital TheoryTruong, T. N.; Lu, D. H.; Lynch, G. C.; Liu, Y. P.; Melissas, V. S.; Stewart, J. J. P.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Gonzalezlafont, A.; Rai, S. N.; Hancock, G. C.; Joseph, T.; Truhlar, D. G.24-Nov-2015-
Morate-6.5 - a New Version of a Computer-Program for Direct Dynamics Calculations of Chemical-Reaction Rate ConstantsHu, W. P.; Lynch, G. C.; Liu, Y. P.; Rossi, I.; Stewart, J. J. P.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Lu, D. H.; Melissas, V. S.; Truhlar, D. G.24-Nov-2015-
Optimized Calculations of Reaction Paths and Reaction-Path Functions for Chemical-ReactionsMelissas, V. S.; Truhlar, D. G.; Garrett, B. C.24-Nov-2015-
Polyrate-4 - a New Version of a Computer-Program for the Calculation of Chemical-Reaction Rates for PolyatomicsLu, D. H.; Truong, T. N.; Melissas, V. S.; Lynch, G. C.; Liu, Y. P.; Garrett, B. C.; Steckler, R.; Isaacson, A. D.; Rai, S. N.; Hancock, G. C.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G.24-Nov-2015-
Polyrate-6.5 - a New Version of a Computer-Program for the Calculation of Chemical-Reaction Rates for PolyatomicsSteckler, R.; Hu, W. P.; Liu, Y. P.; Lynch, G. C.; Garrett, B. C.; Isaacson, A. D.; Melissas, V. S.; Lu, D. H.; Truong, T. N.; Sachchida, N. R.; Hancock, G. C.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G.24-Nov-2015-
Showing results 1 to 10 of 10